CID 25738

Dimethyl adipimidate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
COC(=N)CCCCC(=N)OC
InChI
InChI=1S/C8H16N2O2/c1-11-7(9)5-3-4-6-8(10)12-2/h9-10H,3-6H2,1-2H3
InChIKey
ZLFRJHOBQVVTOJ-UHFFFAOYSA-N
Compound name
dimethyl hexanediimidate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

71
References

26794
Patents

172.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.7
[M+Na]+ 195.11041 145.6
[M-H]- 171.11391 140.7
[M+NH4]+ 190.15501 160.4
[M+K]+ 211.08435 145.4
[M+H-H2O]+ 155.11845 134.9
[M+HCOO]- 217.11939 164.8
[M+CH3COO]- 231.13504 185.5
[M+Na-2H]- 193.09586 144.5
[M]+ 172.12064 141.1
[M]- 172.12174 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe